2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(2-ketopyrrolidino)benzyl]nicotinamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O)C

InChI

InChI=1S/C25H25N3O2S/c1-17-7-12-21(15-18(17)2)31-25-22(5-3-13-26-25)24(30)27-16-19-8-10-20(11-9-19)28-14-4-6-23(28)29/h3,5,7-13,15H,4,6,14,16H2,1-2H3,(H,27,30)